ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one

C11H18N2O — CID 145416260

IUPACethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
SMILESC=CC1=C(N=C)C(=O)N(C)CC1.CC
InChIInChI=1S/C9H12N2O.C2H6/c1-4-7-5-6-11(3)9(12)8(7)10-2;1-2/h4H,1-2,5-6H2,3H3;1-2H3
InChIKeyFACAAHQUMNAYCO-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.02
Rot. Bonds2

About ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one

ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one (PubChem CID 145416260) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Nameethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
PubChem CID145416260
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nameethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one
SMILESC=CC1=C(N=C)C(=O)N(C)CC1.CC
InChIInChI=1S/C9H12N2O.C2H6/c1-4-7-5-6-11(3)9(12)8(7)10-2;1-2/h4H,1-2,5-6H2,3H3;1-2H3
InChIKeyFACAAHQUMNAYCO-UHFFFAOYSA-N
XLogP2.02
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Butyl-5,6-dimethylpyridin-2-one
CID 13169262
1,6-Ditert-butyl-2,3-dihydropyrrolo[2,3-c]pyridin-7-one
CID 20773195
3-Amino-1-butyl-5,6-dimethyl-2-pyridone
CID 22266463
1,6-Dimethyl-3-(methylideneamino)-5-propan-2-ylpyridin-2-one
CID 23391959
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 142365592
ethane;(2Z)-N-ethyl-N,3-dimethyl-2-(methylideneamino)penta-2,4-dienamide
CID 143810965
4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 144338510
ethane;4-ethenyl-1-methyl-3-(methylideneamino)-2H-pyrrol-5-one
CID 145261989
5-Ethenyl-1-methyl-4-(methylideneamino)-2,3-dihydropyridin-6-one
CID 145293390
ethane;4-ethenyl-5-(methylideneamino)-2,3-dihydro-1H-pyridin-6-one
CID 145416167
ethane;3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416254
3-ethenyl-1-methyl-4-(methylideneamino)-2H-pyrrol-5-one
CID 145416255

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
The IUPAC name of ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one (CID 145416260) is ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one.
What is the SMILES notation for ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
The canonical SMILES for ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one is C=CC1=C(N=C)C(=O)N(C)CC1.CC.
What is the InChIKey of ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
The InChIKey is FACAAHQUMNAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-4-7-5-6-11(3)9(12)8(7)10-2;1-2/h4H,1-2,5-6H2,3H3;1-2H3.
What are the key properties of ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one?
ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one has a molecular weight of 194.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-1-methyl-5-(methylideneamino)-2,3-dihydropyridin-6-one is sourced from PubChem (CID 145416260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).